4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide

C22H22N4O3 — CID 91907358

IUPAC4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESO=C(CCCC1C(=O)Nc2ccccc21)NCCc1noc(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O3/c27-20(12-6-10-17-16-9-4-5-11-18(16)24-21(17)28)23-14-13-19-25-22(29-26-19)15-7-2-1-3-8-15/h1-5,7-9,11,17H,6,10,12-14H2,(H,23,27)(H,24,28)
InChIKeyBQZUJJQSVTWNIL-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.30
Rot. Bonds8

About 4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide

4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (PubChem CID 91907358) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
PubChem CID91907358
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESO=C(CCCC1C(=O)Nc2ccccc21)NCCc1noc(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O3/c27-20(12-6-10-17-16-9-4-5-11-18(16)24-21(17)28)23-14-13-19-25-22(29-26-19)15-7-2-1-3-8-15/h1-5,7-9,11,17H,6,10,12-14H2,(H,23,27)(H,24,28)
InChIKeyBQZUJJQSVTWNIL-UHFFFAOYSA-N
XLogP3.30
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The IUPAC name of 4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (CID 91907358) is 4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The canonical SMILES for 4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is O=C(CCCC1C(=O)Nc2ccccc21)NCCc1noc(-c2ccccc2)n1.
What is the InChIKey of 4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The InChIKey is BQZUJJQSVTWNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-20(12-6-10-17-16-9-4-5-11-18(16)24-21(17)28)23-14-13-19-25-22(29-26-19)15-7-2-1-3-8-15/h1-5,7-9,11,17H,6,10,12-14H2,(H,23,27)(H,24,28).
What are the key properties of 4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide has a molecular weight of 390.44 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dihydroindol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 91907358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).